Table C.1
Prompt ions detected from multi-photon ionized benzonitrile (C6H5CN): m/z range 61 to 105. Gaussian fits were applied to determine the center m/z values of the peaks that could be assigned to different combinations of atoms.
| MPI m/z (nearest integer or center value) | Present assignments@ (with m/z to compare with center value) | Alternative ion (m/z) that was not identified& | Previous assignments | Relevant ion observations in the ISM |
|---|---|---|---|---|
| 105 | 13C2C5H5N•+ | - | # | - |
| 104 | 13CC6H5N•+ | - | # | - |
| 103 | C6H5CN•+ | - | # | - |
| 102 | C7H4N+ | - | C7H4N+ (2 structures) (1) | - |
| 101 | C7H3N•+ | - | # | - |
| 100 | C7H2N+ | - | # | HC7NH+ (2) |
| 99 | C7HN•+ | - | # | - |
| 98 | C7N+ | - | # | - |
| 89* | C6H3N•+ or C7H5+ | - | - | - |
| 88.015† | C6H2N+ (88.019) | C7H4•+ (88.031) | - | - |
| 87.010† | C6HN•+ (87.011) | C7H3+ (87.024) | - | - |
| 86* | C6N+ or C7H2•+ | - | - | - |
| 78 | 13CC5H5•+ or 13CC4H3N•+ | - | - | - |
| 77.040† | C6H5+ (77.039) and 25% 13CC5H4•+ (77.035) | C5H3N•+ (77.027) | C6H5+ (1, 3, 4) | - |
| 76* | C6H4•+ or C5H2N+ | - | C6H4•+ (3, 5, 6, 7, 8); 2 structures (1) | - |
| 75* | C6H3+ or C5HN•+ | - | HC5N•+ (1, 3) | - |
| 74* | C6H2•+ or C5N+ | - | - | C5N+ (9) |
| 73 | C6H+ | - | # | - |
| 72 | C6•+ | - | # | - |
| 66% | C4H4N•+ | - | First observed here$ ,# | - |
| 65.026† | C4H3N•+ (65.027) | C5H5+ (65.039) | - | - |
| 64.017† | C4H2N+ (64.019) | C5H4•+ (64.031) | C4H2N+ (8) | - |
| 63* | C5H3+ or C4HN•+ | - | - | - |
| 62* | C5H2•+ or C4N+ | - | - | - |
| 61 | C5H+ | - | # | - |
Notes. (@)The assignments in bold were identified using Gaussian fits, or they represent the only possible assignment considering the atomic composition of benzonitrile. (&) However, a possible weak contribution cannot be ruled out. (#)Only one possible assignment. (*)Not possible to obtain a good Gaussian fit due to low signal-to-noise ratios or an asymmetric peak shape. (†)center value ±0.005. (%)The m/z 66 signal is too weak to be discernible in Fig. 2, but we could detect it in an MPI measurement with higher benzonitrile pressure. ($)These peaks were not visible in the NIST mass spectrum (Wallace 2024) or in Martin & O’Malley (1984)’s mass spectra. References. (1) Rap et al. (2023); (2) Cabezas et al. (2022); (3) Kamer et al. (2023); (4) Molenaar-Langeveld et al. (1986); (5) Schug (1964); (6) Baldwin (1979); (7) Rosenstock et al. (1980); (8) Martin & O’Malley (1984); (9) Cernicharo et al. (2022).
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